ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-(2-thiophen-2-ylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-2-oxidanylidene-4-phenyl-6-[3-(2-thiophen-2-ylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-[[2-(2-thienyl)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-2-oxo-6-[3-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-2-oxo-4-phenyl-6-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-phenyl-6-[3-[[2-(2-thienyl)acetyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4S/c1-3-5-16-32-27(20-11-7-6-8-12-20)25(28(34)36-4-2)26(31-29(32)35)21-13-9-14-22(18-21)30-24(33)19-23-15-10-17-37-23/h6-15,17-18,26H,3-5,16,19H2,1-2H3,(H,30,33)(H,31,35)